[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol

C11H12N2O4S — CID 63844903

IUPAC[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
SMILESCS(=O)(=O)Cc1noc(C(O)c2ccccc2)n1
InChIInChI=1S/C11H12N2O4S/c1-18(15,16)7-9-12-11(17-13-9)10(14)8-5-3-2-4-6-8/h2-6,10,14H,7H2,1H3
InChIKeyGOEDWJSWWGIDSS-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.70
Rot. Bonds4

About [3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol

[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol (PubChem CID 63844903) has the molecular formula C11H12N2O4S and a molecular weight of 268.29 g/mol. Its IUPAC name is [3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol.

Molecular Properties

Compound Name[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
PubChem CID63844903
Molecular FormulaC11H12N2O4S
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC Name[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
SMILESCS(=O)(=O)Cc1noc(C(O)c2ccccc2)n1
InChIInChI=1S/C11H12N2O4S/c1-18(15,16)7-9-12-11(17-13-9)10(14)8-5-3-2-4-6-8/h2-6,10,14H,7H2,1H3
InChIKeyGOEDWJSWWGIDSS-UHFFFAOYSA-N
XLogP0.70
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

phenyl-(3-propyl-1,2,4-oxadiazol-5-yl)methanol
CID 63850614
2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 63349793
phenyl-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 63844917
[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 63846620
2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 55137085
(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanol
CID 63851603
(2R)-2-amino-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 94451312
[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 63846811
3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352639
1,1,1-trifluoro-3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 55230884
4-methyl-3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 55202198
4-[(2S)-2-amino-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 104905697

Frequently Asked Questions

What is the IUPAC name of [3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The IUPAC name of [3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol (CID 63844903) is [3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol.
What is the SMILES notation for [3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The canonical SMILES for [3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol is CS(=O)(=O)Cc1noc(C(O)c2ccccc2)n1.
What is the InChIKey of [3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The InChIKey is GOEDWJSWWGIDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S/c1-18(15,16)7-9-12-11(17-13-9)10(14)8-5-3-2-4-6-8/h2-6,10,14H,7H2,1H3.
What are the key properties of [3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol has a molecular weight of 268.29 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol is sourced from PubChem (CID 63844903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).